1-tert-butyl-3-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]urea

Systemtic Name: 1-tert-butyl-3-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-tert-butyl-3-[1-[4-(2,4-dichlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]urea CAS Name: 1-tert-butyl-3-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-tert-butyl-3-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]urea Traditional Name: 1-tert-butyl-3-[1-[4-(2,4-dichlorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]ethyl]urea Formula: C23H27Cl2N5OS MolecularWeight: 492.46438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)C(C)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)C(C)NC(=O)NC(C)(C)C

InChI

InChI=1S/C23H27Cl2N5OS/c1-14-8-6-7-9-16(14)13-32-22-29-28-20(15(2)26-21(31)27-23(3,4)5)30(22)19-11-10-17(24)12-18(19)25/h6-12,15H,13H2,1-5H3,(H2,26,27,31)